4,5-bis(chloranyl)-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one Formula: C16H19Cl2N4O+ MolecularWeight: 354.25426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N4O/c1-12-4-2-3-5-14(12)21-8-6-20(7-9-21)11-22-16(23)15(18)13(17)10-19-22/h2-5,10H,6-9,11H2,1H3/p+1